1vxr

O-ETHYLMETHYLPHOSPHONYLATED ACETYLCHOLINESTERASE OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX)
(see also AChE inhibitors and substrates (Part III))



Overlap of the TcAChE active sites in 4 different structures (TcAChE /rivastigmine (1gqr, yellow), TcAChE /NAP (1gqs), native TcAChE (2ace), and TcAChE/VX (1vxr, TcAChE colored white and VX black)) reveals that the conformation of H440 in the TcAChE/NAP structure is very similar its conformation in the native TcAChE (2ace), but the distance between H440 Nδ and E327 Oε is significantly longer in the TcAChE/rivastigmine and the TcAChE/VX complexes. This structural change disrupts the catalytic triad consisting of S200, E327, H440.

About this Structure
1VXR is a 1 chain structure of sequence from Torpedo californica. Full crystallographic information is available from OCA.

Additional Resources
For additional information, see: Alzheimer's Disease

Reference
Millard, C.B., Koellner, G., Ordentlich, A., Shafferman, A., Silman, I., Sussman, J.L. (1999) J.Am.Chem.Soc. 121: 9883-9884 Not in PubMed

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